Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
| ▸ | HTR1A | P08908 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4695076 | 0.95 | PARP1 (0.38) | PARP1TSHRTRPA1PNMTHTR1A | |
| SCHEMBL30188261 | 0.95 | PARP1 (0.38) | PARP1TSHRTRPA1PNMTHTR1A | |
| SCHEMBL3188143 | 0.84 | PARP1 (0.47) | PARP1DRD2TSHRTRPA1PNMT | |
| SCHEMBL97779 | 0.78 | PARP1 (0.41) | PARP1DRD2TSHRHTR1A | |
| SCHEMBL4847695 | 0.76 | CREBBP (0.39) | PARP1TSHRHTR1AMAPTKDM4E | |
| SCHEMBL12679738 | 0.74 | PDCD1 (0.36) | PARP1HTR1A | |
| SCHEMBL14070915 | 0.73 | HTR2A (0.33) | MAPTKDM4ENPSR1ALDH1A1HPGD | |
| SCHEMBL9059516 | 0.73 | ITGB2 (0.39) | TSHRMAPTNPSR1ALDH1A1HPGD | |
| SCHEMBL435085 | 0.72 | PARP1 (0.41) | PARP1TSHRHTR1AMAPTKDM4E | |
| SCHEMBL31111348 | 0.71 | PNMT (0.43) | DRD2PNMT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110240586-A | The preparation method of 2,3- dihydro -1H- benzo [f] chroman -2- amine derivative | 山东百极地长制药有限公司 | 2019-09-17 | — | — | CN | claimed |
| CN-110240586-A | The preparation method of 2,3- dihydro -1H- benzo [f] chroman -2- amine derivative | 山东百极地长制药有限公司 | 2019-09-17 | — | — | CN | disclosed |